(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid

C18H30O3 — CID 11460613

IUPAC(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid
SMILESCC/C=C\C[C@H]1[C@@H](CCCCC/C=C/C(=O)O)CC[C@H]1O
InChIInChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,9,12,15-17,19H,2,4-6,8,10-11,13-14H2,1H3,(H,20,21)/b7-3-,12-9+/t15-,16-,17+/m0/s1
InChIKeyTVJPVNHBDWLNCA-VNAXUYIFSA-N
MW294.43 g/mol
LogP4.32
Rot. Bonds10

About (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid

(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid (PubChem CID 11460613) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid.

Molecular Properties

Compound Name(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid
PubChem CID11460613
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid
SMILESCC/C=C\C[C@H]1[C@@H](CCCCC/C=C/C(=O)O)CC[C@H]1O
InChIInChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,9,12,15-17,19H,2,4-6,8,10-11,13-14H2,1H3,(H,20,21)/b7-3-,12-9+/t15-,16-,17+/m0/s1
InChIKeyTVJPVNHBDWLNCA-VNAXUYIFSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

icosa-2,17-dienoic acid
CID 173056389
7-[(1R,2S,5S)-2-hydroxy-5-octylcyclopentyl]hepta-2,4-dienoic acid
CID 54023091
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
CID 122652097
undeca-2,8-dienoic acid
CID 86068100
7-[(2R,3R,5S)-2-(8-ethoxyoct-1-enyl)-3,5-dihydroxycyclopentyl]hept-2-enoic acid
CID 57191528
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584
7-[(3R,4S)-4-(2-hexoxyethyl)oxolan-3-yl]hept-2-enoic acid
CID 54494320
undec-2-enoic acid
CID 519180
2,3-bis[8-(2-octylcyclopropyl)octoxy]propyl 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 166495394
(Z)-7-[(1S,2S,3R,4R)-3-oct-5-enyl-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70591622
copper;heptadec-2-enoic acid
CID 174878538
icosa-2,11-dienoic acid
CID 54537818

Frequently Asked Questions

What is the IUPAC name of (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid?
The IUPAC name of (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid (CID 11460613) is (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid.
What is the SMILES notation for (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid?
The canonical SMILES for (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid is CC/C=C\C[C@H]1[C@@H](CCCCC/C=C/C(=O)O)CC[C@H]1O.
What is the InChIKey of (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid?
The InChIKey is TVJPVNHBDWLNCA-VNAXUYIFSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,9,12,15-17,19H,2,4-6,8,10-11,13-14H2,1H3,(H,20,21)/b7-3-,12-9+/t15-,16-,17+/m0/s1.
What are the key properties of (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid?
(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid has a molecular weight of 294.43 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid is sourced from PubChem (CID 11460613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).